CID 43559172

1-(1,2,4-oxadiazol-3-yl)cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CC(C1)(C2=NOC=N2)N
InChI
InChI=1S/C6H9N3O/c7-6(2-1-3-6)5-8-4-10-9-5/h4H,1-3,7H2
InChIKey
JELQPVSROGURLI-UHFFFAOYSA-N
Compound name
1-(1,2,4-oxadiazol-3-yl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

139.07455 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 122.6
[M+Na]+ 162.06377 129.3
[M-H]- 138.06727 127.0
[M+NH4]+ 157.10837 136.7
[M+K]+ 178.03771 132.3
[M+H-H2O]+ 122.07181 111.0
[M+HCOO]- 184.07275 144.2
[M+CH3COO]- 198.08840 175.2
[M+Na-2H]- 160.04922 130.7
[M]+ 139.07400 129.5
[M]- 139.07510 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.